N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide

Systemtic Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide Openeye Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-[5-(4-chlorophenyl)-2-furyl]prop-2-enamide CAS Name: N-[[4-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-[5-(4-chlorophenyl)-2-furanyl]-2-propenamide IUPAC Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide Traditional Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-[5-(4-chlorophenyl)-2-furyl]acrylamide Formula: C27H18ClN3O3S MolecularWeight: 499.96812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H18ClN3O3S/c28-19-9-5-17(6-10-19)23-15-13-21(33-23)14-16-25(32)31-27(35)29-20-11-7-18(8-12-20)26-30-22-3-1-2-4-24(22)34-26/h1-16H,(H2,29,31,32,35)